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The Anion Recognition through Hydrogen Bonding by Adamantane-dipyrromethane Receptors


Alešković, Marija; Basarić, Nikola; Mlinarić-Majerski, Kata; Molčanov, Krešimir; Kojić-Prodić, Biserka; Kesharwani, K. Manoj; Ganguly, Bishwajit
The Anion Recognition through Hydrogen Bonding by Adamantane-dipyrromethane Receptors // The 3rd Adriatic Meeting on Computational Solutions in the Life Sciences
Primošten, Hrvatska: IRB, 2009. str. 44-44 (poster, međunarodna recenzija, sažetak, znanstveni)


Naslov
The Anion Recognition through Hydrogen Bonding by Adamantane-dipyrromethane Receptors

Autori
Alešković, Marija ; Basarić, Nikola ; Mlinarić-Majerski, Kata ; Molčanov, Krešimir ; Kojić-Prodić, Biserka ; Kesharwani, K. Manoj ; Ganguly, Bishwajit

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
The 3rd Adriatic Meeting on Computational Solutions in the Life Sciences / - Primošten, Hrvatska : IRB, 2009, 44-44

ISBN
978-953-6690-80-0

Skup
The 3rd Adriatic Meeting on Computational Solutions in the Life Sciences

Mjesto i datum
Primošten, Hrvatska, 1-5.09.2009

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
Anion receptors; fluorescent anion sensors; chromogenic anion sensors; dipyrromethane derivatives

Sažetak
Considerable interest has been focused to produce a variety of new selective anion receptors for different applications such as: fluorescent and chromogenic anion sensors, ion selective electrodes, phase-transfer catalysis, or templates in supramolecular synthesis.[1] We prepared a series of substituted dipyrromethane derivatives (AdD) bearing rigid adamantane subunits.[2] AdD receptors 1-4 form complexes with F-, Cl-, Br-, AcO-, NO3-, HSO4-, and H2PO4-. The association constants of the complexes were determined by 1H NMR titration, whereas the geometries of complexes were determined by X-ray structural analysis. The most stable complexes are of 2:1 stoichiometry with F- and AcO-. The stability constants are in accordance with the anion basicity and the ability of AdD receptors to position the hydrogen bonding donor groups with tetrahedral fashion around anions. The binding energies of the complexes with the receptors 1-4 and F- anion are calculated using quantum chemical methods. The calculated results show that the solvent polarity is important for the complexation of fluoride ion with AdD receptors 1-4.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
098-0982933-2911 - Kavezasti spojevi: ugradbene jedinice u molekularnim sustavima (Kata Majerski, )
098-1191344-2943 - Protein-ligand međudjelovanja na atomnoj razini (Marija Luić, )

Ustanove
Institut "Ruđer Bošković", Zagreb